UCSF

ZINC09421753

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 5.8 -23.57 2 8 0 102 393.856 7
Mid Mid (pH 6-8) 2.66 5.32 -45.72 1 8 -1 100 392.848 7

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.